#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1poz s GLN 21 N 0.00 1.04 0.03 0.00 1.03 -1.26 -2.13 119.66 118.38 1poz s GLN 21 Ca 0.00 0.03 0.05 0.00 0.04 0.00 0.00 55.36 55.48 1poz s GLN 21 Cb 0.00 0.49 -0.02 0.00 0.03 0.00 0.00 33.01 33.50 1poz s GLN 21 CO 0.00 -0.35 -0.15 0.42 -2.54 0.00 0.00 175.29 172.67 1poz s ILE 22 N -1.77 1.15 -0.22 3.63 1.01 -1.12 -4.95 121.20 118.94 1poz s ILE 22 Ca -0.09 -0.98 -0.18 0.00 0.00 0.00 0.00 60.65 59.41 1poz s ILE 22 Cb -0.01 -1.03 -0.03 0.00 0.01 0.00 0.00 42.46 41.40 1poz s ILE 22 CO 0.04 0.05 0.50 -1.81 0.00 0.00 0.00 174.94 173.72 1poz s ASP 23 N -1.06 6.50 0.27 3.58 1.01 -1.26 -2.02 116.67 123.69 1poz s ASP 23 Ca 0.02 0.60 0.11 0.00 0.71 0.00 0.00 52.55 53.99 1poz s ASP 23 Cb -0.08 -2.28 -0.05 0.00 1.01 0.00 0.00 42.92 41.53 1poz s ASP 23 CO 0.01 -0.19 -0.13 -0.76 0.21 0.00 0.00 175.17 174.30 1poz s LEU 24 N 1.79 2.79 -0.13 1.23 2.01 0.86 -2.07 118.68 125.16 1poz s LEU 24 Ca 0.22 -0.89 -0.08 0.00 0.01 0.00 0.00 54.13 53.39 1poz s LEU 24 Cb -0.15 -1.31 0.05 0.00 0.01 0.00 0.00 46.19 44.78 1poz s LEU 24 CO 0.09 0.03 0.31 0.21 1.01 0.00 0.00 176.35 178.00 1poz s ASN 25 N -3.54 -0.36 0.19 2.29 3.84 -0.16 0.05 114.94 117.24 1poz s ASN 25 Ca 0.30 0.66 0.02 0.00 0.21 0.00 0.00 52.86 54.05 1poz s ASN 25 Cb -0.06 0.57 -0.01 0.00 -0.55 0.00 0.00 41.25 41.21 1poz s ASN 25 CO 0.17 -0.16 0.21 2.30 -2.79 0.00 0.00 177.10 176.82 1poz n ILE 26 N 3.96 0.00 -0.05 -5.21 -5.35 0.83 0.12 119.36 113.65 1poz n ILE 26 Ca -0.22 -1.17 -0.05 0.00 -0.27 0.00 0.00 62.75 61.04 1poz n ILE 26 Cb 0.55 0.64 -0.06 0.00 -1.74 0.00 0.00 39.64 39.02 1poz n ILE 26 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1poz n THR 27 N -0.33 0.61 0.00 7.28 -1.04 0.18 -0.60 114.28 120.38 1poz n THR 27 Ca 0.02 -0.34 0.00 0.00 -2.04 0.00 0.00 64.05 61.70 1poz n THR 27 Cb 0.33 -0.80 0.00 0.00 -1.82 0.00 0.00 70.33 68.03 1poz n THR 27 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1poz n ARG 29 N -1.09 3.62 -2.72 0.00 3.00 0.11 -2.50 116.66 117.08 1poz n ARG 29 Ca 0.00 -4.42 -0.42 0.00 -0.01 0.00 0.00 57.85 53.00 1poz n ARG 29 Cb 0.00 -2.58 -0.03 0.00 0.00 0.00 0.00 32.46 29.84 1poz n ARG 29 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1poz s PHE 30 N -1.21 3.70 0.00 -1.55 0.40 0.52 -0.49 117.98 119.35 1poz s PHE 30 Ca 0.32 1.72 0.00 0.00 -0.60 0.00 0.00 56.93 58.37 1poz s PHE 30 Cb -0.08 -3.10 0.00 0.00 0.51 0.00 0.00 43.02 40.35 1poz s PHE 30 CO -0.06 0.05 0.00 0.00 0.70 0.00 0.00 175.22 175.91 1poz n ALA 31 N 3.61 0.00 0.00 5.36 0.00 0.37 -0.68 120.51 129.16 1poz n ALA 31 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1poz n ALA 31 Cb 0.51 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.07 1poz n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1poz n GLY 32 N -2.00 1.21 3.19 0.00 0.00 -0.76 -2.27 105.19 104.56 1poz n GLY 32 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1poz n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1poz s VAL 33 N -2.00 2.54 -0.34 1.61 1.01 0.14 -1.18 120.40 122.17 1poz s VAL 33 Ca 0.00 -0.81 -0.07 0.00 0.00 0.00 0.00 61.98 61.09 1poz s VAL 33 Cb 0.00 -2.12 0.03 0.00 0.00 0.00 0.00 36.38 34.29 1poz s VAL 33 CO 0.00 0.47 0.12 0.12 0.00 0.00 0.00 175.10 175.81 1poz s PHE 34 N 1.35 3.24 -0.14 5.22 5.36 -0.18 -0.35 117.98 132.48 1poz s PHE 34 Ca 0.05 -1.31 -0.28 0.00 -0.96 0.00 0.00 56.93 54.42 1poz s PHE 34 Cb -0.14 -2.30 -0.01 0.00 -0.34 0.00 0.00 43.02 40.23 1poz s PHE 34 CO -0.09 -0.70 0.97 -1.58 -1.46 0.00 0.00 175.22 172.36 1poz s HIS 35 N 1.44 3.46 0.23 10.12 5.65 -1.04 -2.78 115.29 132.37 1poz s HIS 35 Ca -0.01 1.50 0.09 0.00 0.25 0.00 0.00 55.06 56.89 1poz s HIS 35 Cb -0.19 -3.16 -0.04 0.00 -1.18 0.00 0.00 32.58 28.00 1poz s HIS 35 CO 0.03 -0.27 -0.03 0.54 -0.65 0.00 0.00 174.74 174.37 1poz s VAL 36 N 2.24 3.43 -0.11 0.89 0.11 -0.65 -0.65 120.40 125.66 1poz s VAL 36 Ca 0.45 -1.78 -0.27 0.00 -2.93 0.00 0.00 61.98 57.45 1poz s VAL 36 Cb -0.17 -2.78 0.06 0.00 -1.53 0.00 0.00 36.38 31.96 1poz s VAL 36 CO 0.15 -0.27 0.65 -1.83 -3.33 0.00 0.00 175.10 170.46 1poz s GLU 37 N -3.36 0.95 0.24 1.54 1.03 0.31 -2.52 118.70 116.89 1poz s GLU 37 Ca 0.29 0.43 -0.30 0.00 0.03 0.00 0.00 54.97 55.42 1poz s GLU 37 Cb -0.07 0.45 -0.09 0.00 -0.80 0.00 0.00 34.13 33.62 1poz s GLU 37 CO 0.19 -0.25 1.09 0.21 -1.33 0.00 0.00 175.26 175.17 1poz s LYS 38 N -0.74 4.63 -0.73 -4.83 2.47 0.25 -0.99 119.74 119.80 1poz s LYS 38 Ca -0.08 1.76 -0.07 0.00 -1.56 0.00 0.00 55.97 56.02 1poz s LYS 38 Cb -0.02 -3.23 -0.13 0.00 -1.46 0.00 0.00 37.83 32.99 1poz s LYS 38 CO 0.07 0.17 2.73 -1.71 0.16 0.00 0.00 175.35 176.77 1poz n ASN 39 N 1.70 5.71 0.00 1.43 2.85 -0.88 -2.88 115.26 123.20 1poz n ASN 39 Ca 0.00 -2.37 0.00 0.00 -0.11 0.00 0.00 54.58 52.10 1poz n ASN 39 Cb 0.45 -1.24 0.00 0.00 1.24 0.00 0.00 39.78 40.23 1poz n ASN 39 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1poz n GLY 40 N 3.21 0.00 3.36 8.20 0.00 -1.26 -4.91 105.19 113.78 1poz n GLY 40 Ca 0.50 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.34 1poz n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1poz s ARG 41 N 0.00 1.49 0.19 1.61 1.81 -1.14 -4.96 118.95 117.95 1poz s ARG 41 Ca 0.00 -1.82 0.08 0.00 -1.72 0.00 0.00 55.73 52.28 1poz s ARG 41 Cb 0.00 -0.44 0.45 0.00 -0.45 0.00 0.00 34.95 34.52 1poz s ARG 41 CO 0.00 -0.27 1.13 0.98 -0.68 0.00 0.00 175.30 176.46 1poz n TYR 42 N -0.54 0.28 0.00 -0.53 4.19 -1.26 -4.53 117.16 114.77 1poz n TYR 42 Ca -0.01 0.15 0.00 0.00 3.31 0.00 0.00 57.90 61.35 1poz n TYR 42 Cb 0.66 -0.56 0.00 0.00 0.49 0.00 0.00 39.34 39.93 1poz n TYR 42 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20 1poz n SER 43 N -1.76 0.00 -3.57 2.98 7.64 -1.26 -4.66 113.62 112.98 1poz n SER 43 Ca -0.01 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 1poz n SER 43 Cb 0.23 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.45 1poz n SER 43 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1poz s ILE 44 N 0.00 0.00 0.15 0.44 2.07 -0.34 0.86 121.20 124.38 1poz s ILE 44 Ca 0.00 -0.40 0.00 0.00 -1.41 0.00 0.00 60.65 58.85 1poz s ILE 44 Cb 0.00 -2.87 -0.00 0.00 0.13 0.00 0.00 42.46 39.72 1poz s ILE 44 CO 0.00 0.00 0.02 -1.54 -1.91 0.00 0.00 174.94 171.51 1poz n SER 45 N -1.12 1.96 -0.04 4.50 3.41 -1.24 -1.50 113.62 119.59 1poz n SER 45 Ca -0.00 -1.68 -0.14 0.00 -0.26 0.00 0.00 58.87 56.78 1poz n SER 45 Cb 0.59 0.18 -0.12 0.00 -0.26 0.00 0.00 64.21 64.60 1poz n SER 45 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1poz h ARG 46 N 0.00 0.06 0.40 4.33 3.08 -1.98 -2.97 114.38 117.29 1poz h ARG 46 Ca -0.12 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.84 1poz h ARG 46 Cb 0.39 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1poz h ARG 46 CO 0.20 0.91 -0.19 1.79 -1.07 0.00 0.00 179.97 181.60 1poz h THR 47 N -0.76 0.55 -0.00 2.04 1.35 -1.98 -2.19 112.91 111.91 1poz h THR 47 Ca -0.02 -0.48 0.02 0.00 -0.55 0.00 0.00 66.41 65.39 1poz h THR 47 Cb 0.95 0.76 -0.05 0.00 -1.73 0.00 0.00 68.15 68.08 1poz h THR 47 CO 0.02 0.08 -0.53 -0.08 -0.25 0.00 0.00 175.52 174.76 1poz h GLU 48 N -0.84 -0.63 0.00 4.72 4.57 -1.85 -2.74 114.58 117.81 1poz h GLU 48 Ca -0.05 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1poz h GLU 48 Cb 0.54 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.28 1poz h GLU 48 CO 0.09 -0.42 0.00 0.00 -1.18 0.00 0.00 179.01 177.50 1poz n ALA 49 N -2.96 -0.20 -0.10 2.92 0.00 -1.12 -2.39 120.51 116.66 1poz n ALA 49 Ca -0.07 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.40 1poz n ALA 49 Cb 0.39 0.18 0.06 0.00 0.00 0.00 0.00 19.45 20.08 1poz n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1poz n ALA 50 N -1.93 0.10 -0.07 0.00 0.00 -0.82 0.15 120.51 117.94 1poz n ALA 50 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1poz n ALA 50 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.24 1poz n ALA 50 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1poz n ASP 51 N -4.34 0.00 0.32 0.00 -0.08 -1.00 -2.04 116.55 109.41 1poz n ASP 51 Ca 0.06 0.93 -0.17 0.00 -1.51 0.00 0.00 54.79 54.10 1poz n ASP 51 Cb 0.18 -0.47 -0.09 0.00 2.34 0.00 0.00 41.12 43.09 1poz n ASP 51 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1poz h LEU 52 N 0.00 -0.68 -0.90 -2.67 5.85 -0.08 1.02 115.31 117.86 1poz h LEU 52 Ca 0.00 -0.01 0.32 0.00 0.84 0.00 0.00 57.88 59.03 1poz h LEU 52 Cb 0.00 0.18 -0.16 0.00 0.37 0.00 0.00 40.66 41.04 1poz h LEU 52 CO 0.00 -0.42 0.30 0.00 -0.34 0.00 0.00 178.44 177.97 1poz h LYS 54 N 0.00 0.00 -1.18 0.00 2.10 -1.14 -3.36 116.57 112.99 1poz h LYS 54 Ca 0.67 0.00 0.39 0.00 -2.00 0.00 0.00 60.65 59.71 1poz h LYS 54 Cb 1.65 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 32.85 1poz h LYS 54 CO -0.75 0.21 0.73 0.00 -2.00 0.00 0.00 179.45 177.64 1poz h ALA 55 N 1.59 2.44 -1.29 0.07 0.00 1.32 0.20 119.26 123.58 1poz h ALA 55 Ca -0.11 0.14 -0.74 0.00 0.00 0.00 0.00 54.91 54.20 1poz h ALA 55 Cb 1.41 0.19 -0.31 0.00 0.00 0.00 0.00 17.79 19.08 1poz h ALA 55 CO 0.03 -1.05 0.64 1.97 0.00 0.00 0.00 179.25 180.84 1poz n PHE 56 N -4.83 3.08 -2.34 0.00 -1.74 -1.08 0.10 117.46 110.66 1poz n PHE 56 Ca 0.35 -2.69 -0.19 0.00 -0.56 0.00 0.00 57.45 54.36 1poz n PHE 56 Cb 1.25 -0.97 0.02 0.00 1.52 0.00 0.00 39.48 41.30 1poz n PHE 56 CO 0.00 0.00 0.00 0.27 -0.56 0.00 0.00 176.76 176.47 1poz n ASN 57 N -0.34 -2.67 -4.01 5.98 0.23 0.72 -4.61 115.26 110.55 1poz n ASN 57 Ca 0.47 -0.13 -0.13 0.00 -0.53 0.00 0.00 54.58 54.27 1poz n ASN 57 Cb 0.31 -0.79 -0.12 0.00 -2.08 0.00 0.00 39.78 37.11 1poz n ASN 57 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 1poz s SER 58 N -0.90 0.62 0.24 0.53 0.01 -1.25 -3.22 113.70 109.73 1poz s SER 58 Ca 0.17 -0.42 0.07 0.00 1.31 0.00 0.00 55.95 57.08 1poz s SER 58 Cb -0.02 0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.20 1poz s SER 58 CO 0.44 -0.16 0.21 0.42 0.41 0.00 0.00 173.24 174.55 1poz s THR 59 N -1.07 4.53 0.16 1.44 -4.23 -1.07 -4.61 115.64 110.80 1poz s THR 59 Ca -0.08 -1.34 -0.33 0.00 -1.18 0.00 0.00 61.69 58.76 1poz s THR 59 Cb -0.08 -3.44 -0.16 0.00 1.34 0.00 0.00 72.50 70.16 1poz s THR 59 CO -0.00 -0.33 1.11 0.18 -0.54 0.00 0.00 174.62 175.04 1poz n LEU 60 N -1.14 1.20 -4.60 4.79 4.32 -1.26 -2.67 117.00 117.63 1poz n LEU 60 Ca -0.08 1.14 -0.43 0.00 -0.02 0.00 0.00 56.01 56.62 1poz n LEU 60 Cb 0.58 -1.17 -0.03 0.00 -1.62 0.00 0.00 43.42 41.18 1poz n LEU 60 CO 0.43 -1.48 1.54 -2.16 -1.22 0.00 0.00 177.39 174.50 1poz s PRO 61 N -0.41 3.38 0.00 3.23 0.04 -1.25 -4.78 135.00 135.21 1poz s PRO 61 Ca 0.74 1.50 0.00 0.00 0.04 0.00 0.00 61.00 63.28 1poz s PRO 61 Cb -0.89 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 29.46 1poz s PRO 61 CO 0.53 -1.80 0.00 0.25 0.04 0.00 0.00 177.00 176.02 1poz n THR 62 N 7.34 0.00 0.33 1.26 -2.24 -1.26 0.93 114.28 120.63 1poz n THR 62 Ca 0.23 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.15 1poz n THR 62 Cb 0.46 -1.18 0.48 0.00 -2.10 0.00 0.00 70.33 68.00 1poz n THR 62 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 1poz h MET 63 N 0.00 0.00 0.02 -0.78 2.86 -1.98 -1.55 114.93 113.50 1poz h MET 63 Ca 0.00 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 1poz h MET 63 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1poz h MET 63 CO 0.00 0.00 -0.59 0.00 1.06 0.00 0.00 176.91 177.38 1poz h ALA 64 N 2.11 0.10 0.00 6.32 0.00 -1.98 -2.46 119.26 123.34 1poz h ALA 64 Ca 0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 54.91 53.99 1poz h ALA 64 Cb 0.64 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1poz h ALA 64 CO 0.00 0.33 -0.58 1.96 0.00 0.00 0.00 179.25 180.96 1poz h GLN 65 N -0.89 0.00 0.00 0.00 4.20 -1.94 -2.12 115.11 114.37 1poz h GLN 65 Ca -0.15 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 1poz h GLN 65 Cb 1.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.00 1poz h GLN 65 CO -0.05 0.58 -0.06 0.00 -0.67 0.00 0.00 178.83 178.63 1poz h MET 66 N 0.00 0.03 0.03 1.46 -0.00 -1.42 -2.56 114.93 112.46 1poz h MET 66 Ca -0.01 -0.04 -0.00 0.00 -0.00 0.00 0.00 59.70 59.65 1poz h MET 66 Cb 1.05 0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.66 1poz h MET 66 CO 0.08 0.90 -0.01 0.93 -0.00 0.00 0.00 176.91 178.80 1poz h GLU 67 N -0.82 -0.03 0.02 -0.10 5.08 -1.49 0.58 114.58 117.82 1poz h GLU 67 Ca -0.01 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1poz h GLU 67 Cb 0.92 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 1poz h GLU 67 CO 0.01 -0.01 -0.17 0.87 -1.00 0.00 0.00 179.01 178.71 1poz h LYS 68 N -0.05 -0.28 0.00 2.33 1.79 -1.52 0.91 116.57 119.75 1poz h LYS 68 Ca -0.00 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1poz h LYS 68 Cb 0.04 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1poz h LYS 68 CO 0.01 -0.18 0.00 0.00 -1.08 0.00 0.00 179.45 178.19 1poz h ALA 69 N 0.62 1.00 0.00 3.86 0.00 -1.25 0.69 119.26 124.19 1poz h ALA 69 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1poz h ALA 69 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1poz h ALA 69 CO -0.15 0.00 -1.03 1.28 0.00 0.00 0.00 179.25 179.35 1poz n LEU 70 N -2.93 0.72 -0.68 0.00 4.32 0.20 -1.37 117.00 117.26 1poz n LEU 70 Ca -0.01 0.23 0.10 0.00 -0.02 0.00 0.00 56.01 56.31 1poz n LEU 70 Cb 0.15 -0.08 0.05 0.00 -1.62 0.00 0.00 43.42 41.92 1poz n LEU 70 CO 0.21 -0.12 0.46 -1.20 -1.22 0.00 0.00 177.39 175.52 1poz n SER 71 N -2.44 2.40 -0.55 -1.43 7.64 0.28 -4.16 113.62 115.35 1poz n SER 71 Ca 0.00 -1.70 0.10 0.00 1.01 0.00 0.00 58.87 58.29 1poz n SER 71 Cb 0.52 0.21 0.02 0.00 -1.01 0.00 0.00 64.21 63.94 1poz n SER 71 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1poz n ILE 72 N 0.66 0.00 -0.24 0.44 -6.64 0.05 -4.95 119.36 108.68 1poz n ILE 72 Ca 0.11 -0.32 0.00 0.00 -1.77 0.00 0.00 62.75 60.76 1poz n ILE 72 Cb 0.49 1.29 0.00 0.00 -1.44 0.00 0.00 39.64 39.97 1poz n ILE 72 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1poz n GLY 73 N 1.33 1.39 3.53 3.28 0.00 -1.25 -5.01 105.19 108.46 1poz n GLY 73 Ca 0.09 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 1poz n GLY 73 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1poz s PHE 74 N -2.00 3.12 0.22 1.61 2.19 -0.47 -5.06 117.98 117.59 1poz s PHE 74 Ca 0.00 -0.21 -0.18 0.00 0.33 0.00 0.00 56.93 56.87 1poz s PHE 74 Cb 0.00 -2.06 0.02 0.00 -1.31 0.00 0.00 43.02 39.67 1poz s PHE 74 CO 0.00 -0.05 0.58 -1.83 1.83 0.00 0.00 175.22 175.75 1poz s GLU 75 N 0.66 1.52 0.00 10.12 -1.05 -1.26 -4.25 118.70 124.44 1poz s GLU 75 Ca 0.01 -0.93 0.00 0.00 -0.15 0.00 0.00 54.97 53.90 1poz s GLU 75 Cb -0.14 0.54 0.00 0.00 -0.44 0.00 0.00 34.13 34.10 1poz s GLU 75 CO 0.02 -0.66 0.01 0.25 0.95 0.00 0.00 175.26 175.83 1poz n THR 76 N -0.38 0.00 -2.07 1.83 -2.24 -1.26 -5.01 114.28 105.14 1poz n THR 76 Ca -0.08 -0.06 -0.15 0.00 -2.27 0.00 0.00 64.05 61.50 1poz n THR 76 Cb 0.62 1.16 -0.03 0.00 -2.10 0.00 0.00 70.33 69.98 1poz n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1poz s ARG 78 N -4.40 1.56 -1.24 0.00 1.81 -1.26 -4.96 118.95 110.45 1poz s ARG 78 Ca 0.00 -1.86 -0.20 0.00 -1.72 0.00 0.00 55.73 51.96 1poz s ARG 78 Cb 0.00 -0.59 0.03 0.00 -0.45 0.00 0.00 34.95 33.94 1poz s ARG 78 CO 0.00 -0.25 1.76 0.71 -0.68 0.00 0.00 175.30 176.85 1poz s TYR 79 N -3.49 2.55 -0.11 -0.53 2.02 -1.26 -4.41 117.35 112.12 1poz s TYR 79 Ca 0.37 -1.05 -0.25 0.00 -0.37 0.00 0.00 57.07 55.77 1poz s TYR 79 Cb 0.08 -4.57 -0.02 0.00 -0.40 0.00 0.00 41.96 37.05 1poz s TYR 79 CO 0.15 -1.68 0.81 0.20 -1.57 0.00 0.00 175.55 173.46 1poz s GLY 80 N 4.88 2.40 0.34 0.71 0.00 0.11 -1.88 107.32 113.88 1poz s GLY 80 Ca 0.57 0.15 -0.28 0.00 0.00 0.00 0.00 44.72 45.16 1poz s GLY 80 CO 0.08 1.51 1.36 0.69 0.00 0.00 0.00 173.10 176.74 1poz n PHE 81 N 4.54 2.45 -3.63 1.90 3.72 0.80 -1.07 117.46 126.17 1poz n PHE 81 Ca 0.03 0.51 0.00 0.00 -0.05 0.00 0.00 57.45 57.93 1poz n PHE 81 Cb 0.50 -2.45 0.00 0.00 -0.94 0.00 0.00 39.48 36.59 1poz n PHE 81 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22 1poz n ILE 82 N 0.59 0.00 -0.13 4.37 0.13 0.36 -2.56 119.36 122.12 1poz n ILE 82 Ca 0.05 0.00 -0.08 0.00 -1.10 0.00 0.00 62.75 61.61 1poz n ILE 82 Cb 0.36 0.00 -0.00 0.00 -0.84 0.00 0.00 39.64 39.16 1poz n ILE 82 CO 0.00 0.00 0.00 1.05 2.80 0.00 0.00 176.55 180.40 1poz h GLU 83 N 0.00 0.57 0.00 9.51 4.11 0.23 -3.33 114.58 125.67 1poz h GLU 83 Ca 0.00 -0.06 -0.02 0.00 0.07 0.00 0.00 59.36 59.35 1poz h GLU 83 Cb 0.00 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 1poz h GLU 83 CO 0.00 0.44 -0.30 0.78 0.07 0.00 0.00 179.01 180.00 1poz h GLY 84 N 0.54 0.00 0.00 1.06 0.00 -1.97 -3.49 103.07 99.21 1poz h GLY 84 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1poz h GLY 84 CO -0.03 0.00 0.00 1.42 0.00 0.00 0.00 176.54 177.93 1poz n HIS 85 N -4.67 -0.33 -1.69 5.60 8.25 -1.25 -5.13 115.22 116.00 1poz n HIS 85 Ca -0.07 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 56.95 1poz n HIS 85 Cb 0.21 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.29 1poz n HIS 85 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 1poz n VAL 86 N 0.00 0.15 -4.33 1.59 3.14 -1.26 -0.48 118.33 117.14 1poz n VAL 86 Ca 0.00 -0.03 -0.18 0.00 -2.96 0.00 0.00 64.34 61.17 1poz n VAL 86 Cb 0.00 -1.83 -0.09 0.00 -1.06 0.00 0.00 33.84 30.85 1poz n VAL 86 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 1poz s VAL 87 N 1.76 0.34 -0.01 1.55 -7.23 -0.23 -2.62 120.40 113.96 1poz s VAL 87 Ca 0.80 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.99 1poz s VAL 87 Cb -0.59 -2.53 -0.00 0.00 0.56 0.00 0.00 36.38 33.82 1poz s VAL 87 CO 0.38 0.00 -0.06 -0.63 -0.31 0.00 0.00 175.10 174.48 1poz s ILE 88 N -3.65 0.51 0.38 -0.62 1.01 0.20 0.07 121.20 119.09 1poz s ILE 88 Ca 0.36 -0.26 -0.06 0.00 0.00 0.00 0.00 60.65 60.69 1poz s ILE 88 Cb 0.05 -0.44 0.10 0.00 0.01 0.00 0.00 42.46 42.18 1poz s ILE 88 CO 0.17 0.15 0.29 -0.81 0.00 0.00 0.00 174.94 174.74 1poz n PRO 89 N 3.03 -2.07 0.00 2.79 -0.04 -1.26 -2.47 135.00 134.98 1poz n PRO 89 Ca -0.14 -0.47 0.00 0.00 -0.04 0.00 0.00 63.50 62.84 1poz n PRO 89 Cb 0.57 -0.50 0.00 0.00 -0.04 0.00 0.00 33.50 33.53 1poz n PRO 89 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1poz n ARG 90 N -2.70 0.00 0.00 0.54 5.12 -1.26 -4.46 116.66 113.90 1poz n ARG 90 Ca 0.04 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 1poz n ARG 90 Cb 0.17 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.47 1poz n ARG 90 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1poz n ILE 91 N -1.79 0.00 -2.82 0.55 5.41 -1.26 -4.66 119.36 114.80 1poz n ILE 91 Ca 0.00 0.00 -0.38 0.00 1.00 0.00 0.00 62.75 63.37 1poz n ILE 91 Cb 0.00 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 38.87 1poz n ILE 91 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1poz s HIS 92 N 0.00 3.80 -0.46 1.39 3.76 -1.26 -4.93 115.29 117.59 1poz s HIS 92 Ca 0.00 1.78 0.13 0.00 -0.15 0.00 0.00 55.06 56.82 1poz s HIS 92 Cb 0.00 -2.90 0.72 0.00 1.11 0.00 0.00 32.58 31.51 1poz s HIS 92 CO 0.00 0.33 1.39 -2.30 -0.85 0.00 0.00 174.74 173.31 1poz n PRO 93 N 0.96 0.09 -2.24 8.40 -0.02 -1.26 -4.06 135.00 136.86 1poz n PRO 93 Ca -0.00 0.58 -0.43 0.00 -2.02 0.00 0.00 63.50 61.63 1poz n PRO 93 Cb 0.49 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 1poz n PRO 93 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1poz n ASN 94 N -1.96 4.51 -4.65 2.55 4.13 -1.26 -4.96 115.26 113.61 1poz n ASN 94 Ca -0.01 -2.89 -0.44 0.00 1.68 0.00 0.00 54.58 52.92 1poz n ASN 94 Cb 0.05 -1.71 -0.02 0.00 -1.54 0.00 0.00 39.78 36.56 1poz n ASN 94 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1poz n SER 95 N 7.44 2.25 0.00 6.41 7.64 -1.26 -4.83 113.62 131.27 1poz n SER 95 Ca 0.50 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.56 1poz n SER 95 Cb 0.43 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 1poz n SER 95 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1poz n ILE 96 N 0.91 0.00 0.00 0.44 3.06 -1.26 -4.80 119.36 117.70 1poz n ILE 96 Ca 0.09 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.34 1poz n ILE 96 Cb 0.32 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.50 1poz n ILE 96 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1poz h ALA 98 N -2.00 0.90 -1.40 0.00 0.00 -1.92 -3.49 119.26 111.35 1poz h ALA 98 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1poz h ALA 98 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1poz h ALA 98 CO 0.00 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.57 1poz n ALA 99 N -2.19 0.00 -0.91 0.00 0.00 -1.26 -4.75 120.51 111.40 1poz n ALA 99 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1poz n ALA 99 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1poz n ALA 99 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1poz n ASN 100 N -3.02 0.00 -0.56 0.00 3.02 -1.26 -4.55 115.26 108.89 1poz n ASN 100 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1poz n ASN 100 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1poz n ASN 100 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1poz n ASN 101 N 3.63 0.00 -3.56 6.41 4.13 -1.26 -5.06 115.26 119.54 1poz n ASN 101 Ca 0.00 -0.06 -0.17 0.00 1.68 0.00 0.00 54.58 56.03 1poz n ASN 101 Cb 0.00 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.18 1poz n ASN 101 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1poz s THR 102 N 1.63 0.01 0.31 3.41 -1.32 -1.26 -4.87 115.64 113.55 1poz s THR 102 Ca 0.00 -0.10 0.00 0.00 -1.21 0.00 0.00 61.69 60.38 1poz s THR 102 Cb 0.00 -0.93 0.00 0.00 -1.51 0.00 0.00 72.50 70.06 1poz s THR 102 CO 0.00 -0.06 0.00 0.61 -2.21 0.00 0.00 174.62 172.96 1poz n GLY 103 N 0.90 -4.19 4.08 6.08 0.00 -1.26 -4.67 105.19 106.13 1poz n GLY 103 Ca -0.19 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 1poz n GLY 103 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1poz n VAL 104 N -0.57 -0.64 -2.22 1.61 3.14 -1.21 -4.78 118.33 113.66 1poz n VAL 104 Ca 0.00 -0.32 -0.40 0.00 -2.96 0.00 0.00 64.34 60.66 1poz n VAL 104 Cb 0.00 -0.75 -0.03 0.00 -1.06 0.00 0.00 33.84 32.00 1poz n VAL 104 CO 0.00 0.00 0.00 -0.47 -6.46 0.00 0.00 176.83 169.90 1poz s TYR 105 N -3.87 1.96 0.60 1.45 6.14 -1.03 -4.66 117.35 117.95 1poz s TYR 105 Ca 0.19 0.54 -0.15 0.00 0.64 0.00 0.00 57.07 58.29 1poz s TYR 105 Cb -0.11 -4.27 -0.03 0.00 0.42 0.00 0.00 41.96 37.97 1poz s TYR 105 CO 0.87 -2.23 1.05 0.42 0.64 0.00 0.00 175.55 176.30 1poz s ILE 106 N 7.45 3.90 0.38 3.14 -1.09 -1.25 0.61 121.20 134.34 1poz s ILE 106 Ca 0.59 0.85 -0.17 0.00 -2.23 0.00 0.00 60.65 59.69 1poz s ILE 106 Cb -0.12 -3.41 -0.10 0.00 -1.58 0.00 0.00 42.46 37.25 1poz s ILE 106 CO 0.22 -0.58 0.84 -0.22 -1.23 0.00 0.00 174.94 173.98 1poz s LEU 107 N -4.63 3.97 -0.21 2.97 2.96 -1.08 -4.91 118.68 117.75 1poz s LEU 107 Ca 0.62 1.46 -0.16 0.00 -0.22 0.00 0.00 54.13 55.83 1poz s LEU 107 Cb -0.15 -4.30 -0.08 0.00 0.50 0.00 0.00 46.19 42.16 1poz s LEU 107 CO 0.39 -0.30 -0.34 0.41 -1.32 0.00 0.00 176.35 175.19 1poz n THR 108 N -0.60 1.51 -2.56 3.68 -1.04 -1.26 -4.79 114.28 109.22 1poz n THR 108 Ca 0.05 -0.04 -0.41 0.00 -2.04 0.00 0.00 64.05 61.60 1poz n THR 108 Cb 0.54 -2.18 -0.02 0.00 -1.82 0.00 0.00 70.33 66.84 1poz n THR 108 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1poz s SER 109 N -6.48 6.55 -0.66 8.00 0.01 -1.26 -4.95 113.70 114.92 1poz s SER 109 Ca -0.32 -1.65 -0.24 0.00 1.31 0.00 0.00 55.95 55.05 1poz s SER 109 Cb 0.08 -2.57 0.06 0.00 0.21 0.00 0.00 66.02 63.79 1poz s SER 109 CO 0.45 -1.46 1.04 0.21 0.41 0.00 0.00 173.24 173.89 1poz s ASN 110 N 4.86 6.20 0.00 2.44 2.47 -1.26 -4.31 114.94 125.34 1poz s ASN 110 Ca 0.48 -0.76 0.00 0.00 0.42 0.00 0.00 52.86 53.00 1poz s ASN 110 Cb 0.01 -2.46 0.00 0.00 -1.45 0.00 0.00 41.25 37.35 1poz s ASN 110 CO -0.06 -1.50 0.00 1.07 -3.72 0.00 0.00 177.10 172.88 1poz n THR 111 N 6.08 0.00 0.00 -5.21 5.66 -1.26 -5.09 114.28 114.46 1poz n THR 111 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 1poz n THR 111 Cb 0.47 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.25 1poz n THR 111 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1poz n SER 112 N -0.43 0.00 -1.14 1.09 3.41 -1.26 -5.12 113.62 110.18 1poz n SER 112 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.60 1poz n SER 112 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1poz n SER 112 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1poz n GLN 113 N 0.00 0.07 0.00 4.33 7.27 -1.26 -4.97 117.38 122.82 1poz n GLN 113 Ca 0.00 -0.14 0.00 0.00 0.07 0.00 0.00 57.00 56.93 1poz n GLN 113 Cb 0.00 0.18 0.00 0.00 2.41 0.00 0.00 30.24 32.83 1poz n GLN 113 CO 0.00 0.00 0.00 2.48 0.07 0.00 0.00 177.06 179.61 1poz n TYR 114 N -0.04 0.00 -0.74 3.69 0.18 -0.56 -4.76 117.16 114.92 1poz n TYR 114 Ca -0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1poz n TYR 114 Cb 0.04 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.00 1poz n TYR 114 CO 0.00 0.00 0.00 -0.40 -2.08 0.00 0.00 176.86 174.38 1poz n ASP 115 N 0.00 -0.00 -3.72 9.48 5.68 -0.79 -1.20 116.55 126.00 1poz n ASP 115 Ca 0.00 -0.74 -0.13 0.00 -0.50 0.00 0.00 54.79 53.41 1poz n ASP 115 Cb 0.00 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 39.89 1poz n ASP 115 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1poz s THR 116 N -0.74 0.01 0.25 2.12 -1.32 -1.05 -0.14 115.64 114.76 1poz s THR 116 Ca 0.00 -0.05 -0.05 0.00 -1.21 0.00 0.00 61.69 60.37 1poz s THR 116 Cb 0.00 -0.63 -0.06 0.00 -1.51 0.00 0.00 72.50 70.30 1poz s THR 116 CO 0.00 -0.03 0.51 -0.31 -2.21 0.00 0.00 174.62 172.58 1poz s TYR 117 N -0.01 3.47 -0.24 9.09 2.02 -1.06 -1.64 117.35 128.98 1poz s TYR 117 Ca -0.02 0.64 -0.03 0.00 -0.37 0.00 0.00 57.07 57.30 1poz s TYR 117 Cb -0.03 -2.09 0.12 0.00 -0.40 0.00 0.00 41.96 39.55 1poz s TYR 117 CO 0.01 0.25 0.28 0.00 -1.57 0.00 0.00 175.55 174.53 1poz s PHE 119 N 2.39 2.48 -0.24 0.00 2.19 -1.09 -1.01 117.98 122.70 1poz s PHE 119 Ca 0.09 -0.69 -0.20 0.00 0.33 0.00 0.00 56.93 56.45 1poz s PHE 119 Cb -0.15 -4.68 -0.02 0.00 -1.31 0.00 0.00 43.02 36.86 1poz s PHE 119 CO -0.19 -1.96 0.62 0.54 1.83 0.00 0.00 175.22 176.07 1poz s ASN 120 N 4.83 6.59 0.42 6.13 6.03 -0.33 -2.58 114.94 136.04 1poz s ASN 120 Ca 0.45 0.72 0.27 0.00 -1.03 0.00 0.00 52.86 53.26 1poz s ASN 120 Cb -0.01 -2.34 1.45 0.00 -3.03 0.00 0.00 41.25 37.32 1poz s ASN 120 CO -0.06 -0.35 1.81 0.00 -2.03 0.00 0.00 177.10 176.47 1poz h ALA 121 N 7.83 1.04 -0.91 3.54 0.00 -1.80 -1.17 119.26 127.79 1poz h ALA 121 Ca -0.28 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.69 1poz h ALA 121 Cb 1.13 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 1poz h ALA 121 CO 0.77 -0.04 0.59 0.77 0.00 0.00 0.00 179.25 181.35 1poz h SER 122 N 0.00 0.93 -3.45 0.00 0.02 -1.84 -3.42 113.55 105.79 1poz h SER 122 Ca 0.00 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.42 1poz h SER 122 Cb 0.10 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 1poz h SER 122 CO 0.00 0.61 -0.08 0.00 -1.14 0.00 0.00 176.83 176.21 1poz s ALA 123 N -5.93 3.54 0.47 3.77 0.00 -0.44 -5.06 121.76 118.12 1poz s ALA 123 Ca -0.12 -0.21 -0.23 0.00 0.00 0.00 0.00 51.96 51.40 1poz s ALA 123 Cb 0.20 -2.49 -0.07 0.00 0.00 0.00 0.00 23.12 20.76 1poz s ALA 123 CO 0.80 0.48 1.28 -1.25 0.00 0.00 0.00 175.76 177.07 1poz s PRO 124 N -2.68 3.60 -1.20 0.00 0.04 -1.26 -4.59 135.00 128.90 1poz s PRO 124 Ca 0.46 2.06 -0.18 0.00 0.04 0.00 0.00 61.00 63.39 1poz s PRO 124 Cb -0.12 -2.46 -0.02 0.00 0.04 0.00 0.00 34.50 31.94 1poz s PRO 124 CO 0.20 -0.76 2.01 -2.30 0.04 0.00 0.00 177.00 176.19 1poz n PRO 125 N -0.49 2.40 0.02 0.56 -0.02 -1.25 -1.83 135.00 134.39 1poz n PRO 125 Ca 0.07 -2.52 0.00 0.00 -2.02 0.00 0.00 63.50 59.03 1poz n PRO 125 Cb 0.45 -3.29 0.00 0.00 -0.02 0.00 0.00 33.50 30.65 1poz n PRO 125 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1poz n GLU 126 N 7.10 0.00 -3.59 -0.52 0.00 -0.96 -4.86 120.64 117.80 1poz n GLU 126 Ca 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.65 1poz n GLU 126 Cb 0.42 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.80 1poz n GLU 126 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 1poz s GLU 127 N -1.93 0.31 -0.26 5.31 -1.05 -1.24 -0.48 118.70 119.36 1poz s GLU 127 Ca 0.00 0.58 -0.03 0.00 -0.15 0.00 0.00 54.97 55.36 1poz s GLU 127 Cb 0.00 0.13 0.15 0.00 -0.44 0.00 0.00 34.13 33.97 1poz s GLU 127 CO 0.00 -0.07 0.48 0.34 0.95 0.00 0.00 175.26 176.96 1poz s ASP 128 N 1.52 -0.51 -0.04 0.83 2.15 0.36 -4.71 116.67 116.27 1poz s ASP 128 Ca -0.08 0.66 0.05 0.00 0.43 0.00 0.00 52.55 53.62 1poz s ASP 128 Cb -0.04 1.61 0.08 0.00 -0.30 0.00 0.00 42.92 44.28 1poz s ASP 128 CO -0.15 -0.27 0.94 0.00 -0.17 0.00 0.00 175.17 175.52 1poz n THR 130 N -0.49 0.00 -2.14 0.00 -2.24 -1.26 -4.70 114.28 103.45 1poz n THR 130 Ca 0.05 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.53 1poz n THR 130 Cb 0.57 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.75 1poz n THR 130 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1poz s SER 131 N -1.85 5.37 0.00 3.42 1.04 -1.26 -4.75 113.70 115.67 1poz s SER 131 Ca 0.00 -1.09 0.05 0.00 0.48 0.00 0.00 55.95 55.39 1poz s SER 131 Cb 0.00 -2.57 0.29 0.00 0.10 0.00 0.00 66.02 63.84 1poz s SER 131 CO 0.00 -2.59 0.85 0.55 0.98 0.00 0.00 173.24 173.02 1poz n VAL 132 N 7.66 0.00 0.00 5.02 3.14 -1.26 -3.96 118.33 128.94 1poz n VAL 132 Ca 0.41 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.79 1poz n VAL 132 Cb 0.47 -0.32 0.00 0.00 -1.06 0.00 0.00 33.84 32.93 1poz n VAL 132 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 1poz n THR 133 N -0.63 0.00 -3.00 1.55 5.66 -1.26 -4.51 114.28 112.10 1poz n THR 133 Ca 0.04 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.61 1poz n THR 133 Cb 0.02 -0.44 -0.05 0.00 -1.55 0.00 0.00 70.33 68.30 1poz n THR 133 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1poz s ASP 134 N -1.62 6.31 -0.31 1.09 1.11 -1.25 -4.86 116.67 117.13 1poz s ASP 134 Ca 0.00 -0.52 0.19 0.00 0.18 0.00 0.00 52.55 52.40 1poz s ASP 134 Cb 0.00 -2.37 0.47 0.00 1.07 0.00 0.00 42.92 42.09 1poz s ASP 134 CO 0.00 -1.02 1.09 0.18 1.18 0.00 0.00 175.17 176.60 1poz n LEU 135 N 6.78 0.94 0.00 1.23 4.77 -1.26 -4.12 117.00 125.34 1poz n LEU 135 Ca -0.01 -3.40 0.10 0.00 -0.03 0.00 0.00 56.01 52.67 1poz n LEU 135 Cb 0.47 0.38 0.51 0.00 -2.33 0.00 0.00 43.42 42.45 1poz n LEU 135 CO 0.59 1.41 0.83 -0.81 -1.33 0.00 0.00 177.39 178.08 1poz n PRO 136 N -0.42 0.24 -0.00 3.23 -0.04 -1.05 -3.19 135.00 133.77 1poz n PRO 136 Ca 0.05 0.10 0.03 0.00 -0.04 0.00 0.00 63.50 63.64 1poz n PRO 136 Cb 0.82 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.93 1poz n PRO 136 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1poz n ASN 137 N -1.32 0.04 -1.85 3.54 2.85 0.29 -4.82 115.26 114.00 1poz n ASN 137 Ca 0.09 -1.84 0.00 0.00 -0.11 0.00 0.00 54.58 52.72 1poz n ASN 137 Cb 0.18 -0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.19 1poz n ASN 137 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1poz n ALA 138 N -0.55 0.00 -1.98 5.20 0.00 -1.19 -4.53 120.51 117.46 1poz n ALA 138 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.24 1poz n ALA 138 Cb 0.02 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.58 1poz n ALA 138 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1poz s PHE 139 N 0.89 1.79 -0.07 0.00 0.40 -1.23 -4.90 117.98 114.86 1poz s PHE 139 Ca 0.00 -0.12 -0.22 0.00 -0.60 0.00 0.00 56.93 55.98 1poz s PHE 139 Cb 0.00 -3.13 -0.04 0.00 0.51 0.00 0.00 43.02 40.36 1poz s PHE 139 CO 0.00 -1.74 0.66 -0.51 0.70 0.00 0.00 175.22 174.32 1poz s ASP 140 N -4.72 6.94 0.00 1.36 1.11 -1.26 -2.87 116.67 117.23 1poz s ASP 140 Ca 0.66 1.13 0.00 0.00 0.18 0.00 0.00 52.55 54.52 1poz s ASP 140 Cb -0.06 -2.39 0.00 0.00 1.07 0.00 0.00 42.92 41.54 1poz s ASP 140 CO 0.45 -0.08 0.00 0.61 1.18 0.00 0.00 175.17 177.33 1poz n GLY 141 N 3.08 1.91 1.18 0.21 0.00 -1.12 -4.81 105.19 105.63 1poz n GLY 141 Ca -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1poz n GLY 141 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1poz n PRO 142 N -0.34 0.56 -2.18 1.61 -0.02 -1.25 -2.25 135.00 131.13 1poz n PRO 142 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.12 1poz n PRO 142 Cb 0.00 -1.22 -0.04 0.00 -0.02 0.00 0.00 33.50 32.23 1poz n PRO 142 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1poz s ILE 143 N 0.54 3.49 -1.19 4.25 -1.09 -0.90 -4.79 121.20 121.50 1poz s ILE 143 Ca 0.00 -0.01 -0.22 0.00 -2.23 0.00 0.00 60.65 58.19 1poz s ILE 143 Cb 0.00 -4.22 -0.08 0.00 -1.58 0.00 0.00 42.46 36.58 1poz s ILE 143 CO 0.00 -1.17 1.92 0.41 -1.23 0.00 0.00 174.94 174.86 1poz n THR 144 N 7.22 2.09 -2.87 2.92 -1.04 -0.90 -0.58 114.28 121.12 1poz n THR 144 Ca 0.24 -2.17 -0.41 0.00 -2.04 0.00 0.00 64.05 59.68 1poz n THR 144 Cb 0.50 -2.19 -0.04 0.00 -1.82 0.00 0.00 70.33 66.78 1poz n THR 144 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1poz s ILE 145 N 10.35 4.85 -0.27 12.58 1.01 0.36 -2.78 121.20 147.30 1poz s ILE 145 Ca 0.67 1.79 0.02 0.00 0.00 0.00 0.00 60.65 63.13 1poz s ILE 145 Cb 0.00 -4.20 0.06 0.00 0.01 0.00 0.00 42.46 38.33 1poz s ILE 145 CO 0.13 0.25 -0.08 -0.89 0.00 0.00 0.00 174.94 174.34 1poz s THR 146 N 0.62 2.38 -0.27 2.92 2.01 -0.86 -0.88 115.64 121.57 1poz s THR 146 Ca 0.44 -1.55 -0.21 0.00 0.31 0.00 0.00 61.69 60.69 1poz s THR 146 Cb -0.20 -2.38 -0.02 0.00 0.01 0.00 0.00 72.50 69.91 1poz s THR 146 CO 0.24 -0.03 0.64 -0.63 -0.69 0.00 0.00 174.62 174.16 1poz s ILE 147 N 1.15 4.96 -0.48 1.82 1.09 -0.69 -0.10 121.20 128.94 1poz s ILE 147 Ca -0.08 1.09 -0.20 0.00 -1.10 0.00 0.00 60.65 60.36 1poz s ILE 147 Cb -0.20 -3.97 0.05 0.00 -1.06 0.00 0.00 42.46 37.28 1poz s ILE 147 CO -0.04 -0.03 0.62 -0.69 -0.10 0.00 0.00 174.94 174.70 1poz s VAL 148 N 2.56 4.86 0.30 2.92 1.01 0.11 -2.27 120.40 129.89 1poz s VAL 148 Ca 0.27 -0.30 -0.27 0.00 0.00 0.00 0.00 61.98 61.67 1poz s VAL 148 Cb -0.15 -4.26 -0.10 0.00 0.00 0.00 0.00 36.38 31.87 1poz s VAL 148 CO 0.09 -0.73 0.94 0.20 0.00 0.00 0.00 175.10 175.61 1poz s ASN 149 N 2.44 7.44 0.00 3.32 0.02 0.80 -0.12 114.94 128.83 1poz s ASN 149 Ca 0.17 1.88 0.00 0.00 -1.02 0.00 0.00 52.86 53.89 1poz s ASN 149 Cb -0.17 -2.59 0.00 0.00 0.02 0.00 0.00 41.25 38.51 1poz s ASN 149 CO 0.14 0.00 0.56 0.54 0.02 0.00 0.00 177.10 178.36 1poz n ARG 150 N 0.86 0.00 -0.67 -0.60 5.12 0.23 -0.04 116.66 121.57 1poz n ARG 150 Ca 0.01 0.14 0.07 0.00 -1.93 0.00 0.00 57.85 56.14 1poz n ARG 150 Cb 0.49 -1.55 0.33 0.00 -1.16 0.00 0.00 32.46 30.57 1poz n ARG 150 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1poz n ASP 151 N -1.06 4.67 -1.98 0.55 -0.08 -1.26 -4.90 116.55 112.49 1poz n ASP 151 Ca 0.00 -2.61 -0.13 0.00 -1.51 0.00 0.00 54.79 50.54 1poz n ASP 151 Cb 0.05 -0.60 0.03 0.00 2.34 0.00 0.00 41.12 42.94 1poz n ASP 151 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1poz n GLY 152 N 0.77 0.04 3.46 0.27 0.00 0.95 -5.03 105.19 105.65 1poz n GLY 152 Ca 0.23 -0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 1poz n GLY 152 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1poz s THR 153 N -3.01 2.61 -0.11 2.61 -4.23 -1.07 -4.95 115.64 107.49 1poz s THR 153 Ca 0.24 -1.79 -0.03 0.00 -1.18 0.00 0.00 61.69 58.92 1poz s THR 153 Cb -0.10 -2.23 0.05 0.00 1.34 0.00 0.00 72.50 71.55 1poz s THR 153 CO 0.29 -0.03 0.10 -0.13 -0.54 0.00 0.00 174.62 174.32 1poz s ARG 154 N -2.47 0.01 -0.03 3.99 0.52 -1.26 -0.14 118.95 119.57 1poz s ARG 154 Ca 0.20 0.24 0.00 0.00 -0.52 0.00 0.00 55.73 55.65 1poz s ARG 154 Cb -0.09 -0.97 -0.03 0.00 0.52 0.00 0.00 34.95 34.37 1poz s ARG 154 CO 0.10 -0.47 -0.01 0.71 0.02 0.00 0.00 175.30 175.66 1poz s TYR 155 N 2.20 3.09 -0.18 -0.53 2.02 -0.96 -4.93 117.35 118.06 1poz s TYR 155 Ca 0.04 0.11 -0.03 0.00 -0.37 0.00 0.00 57.07 56.82 1poz s TYR 155 Cb -0.14 -1.71 -0.02 0.00 -0.40 0.00 0.00 41.96 39.70 1poz s TYR 155 CO -0.06 0.45 -0.06 0.54 -1.57 0.00 0.00 175.55 174.84 1poz s VAL 156 N -1.00 3.47 0.05 0.71 0.11 -1.26 -1.71 120.40 120.77 1poz s VAL 156 Ca 0.17 -0.49 -0.09 0.00 -2.93 0.00 0.00 61.98 58.64 1poz s VAL 156 Cb -0.11 -2.53 -0.00 0.00 -1.53 0.00 0.00 36.38 32.21 1poz s VAL 156 CO 0.07 0.47 0.18 0.00 -3.33 0.00 0.00 175.10 172.49 1poz s GLN 157 N 0.81 0.72 -0.22 1.54 1.03 -0.06 -4.98 119.66 118.50 1poz s GLN 157 Ca -0.02 -0.75 -0.06 0.00 0.04 0.00 0.00 55.36 54.58 1poz s GLN 157 Cb -0.15 0.29 -0.02 0.00 0.03 0.00 0.00 33.01 33.17 1poz s GLN 157 CO 0.01 -0.21 0.01 0.21 -2.54 0.00 0.00 175.29 172.78 1poz s LYS 158 N -2.95 3.57 0.00 9.60 2.20 -1.25 0.13 119.74 131.04 1poz s LYS 158 Ca -0.02 -0.53 0.00 0.00 -0.36 0.00 0.00 55.97 55.06 1poz s LYS 158 Cb 0.01 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.18 1poz s LYS 158 CO -0.06 -0.11 0.00 0.41 -0.36 0.00 0.00 175.35 175.23 1poz n GLY 159 N 4.62 4.35 3.45 5.54 0.00 0.26 -4.77 105.19 118.63 1poz n GLY 159 Ca -0.17 -0.43 0.01 0.00 0.00 0.00 0.00 46.02 45.43 1poz n GLY 159 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1poz s GLU 160 N 4.39 0.54 -0.11 1.61 2.02 -1.14 -2.13 118.70 123.89 1poz s GLU 160 Ca 0.00 1.22 0.19 0.00 0.02 0.00 0.00 54.97 56.40 1poz s GLU 160 Cb 0.00 0.72 0.37 0.00 0.10 0.00 0.00 34.13 35.32 1poz s GLU 160 CO 0.00 -0.33 1.17 0.66 0.02 0.00 0.00 175.26 176.78 1poz n TYR 161 N 5.41 0.11 -0.32 1.61 4.02 -1.26 -3.48 117.16 123.24 1poz n TYR 161 Ca -0.08 -1.08 -0.00 0.00 -0.01 0.00 0.00 57.90 56.73 1poz n TYR 161 Cb 0.50 0.14 0.00 0.00 -0.02 0.00 0.00 39.34 39.96 1poz n TYR 161 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1poz n ARG 162 N -0.12 1.01 0.00 -0.72 1.74 -1.26 -4.26 116.66 113.05 1poz n ARG 162 Ca -0.03 -0.01 0.10 0.00 -0.77 0.00 0.00 57.85 57.14 1poz n ARG 162 Cb 0.94 -1.00 0.52 0.00 -1.02 0.00 0.00 32.46 31.90 1poz n ARG 162 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1poz n THR 163 N 1.37 0.34 -3.37 0.55 -2.24 -1.26 -3.82 114.28 105.85 1poz n THR 163 Ca 0.00 0.09 -0.27 0.00 -2.27 0.00 0.00 64.05 61.60 1poz n THR 163 Cb 0.50 -0.76 -0.08 0.00 -2.10 0.00 0.00 70.33 67.90 1poz n THR 163 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1poz n ASN 164 N -1.25 3.48 0.20 3.42 4.05 -1.26 -4.73 115.26 119.17 1poz n ASN 164 Ca 0.10 -3.39 0.09 0.00 0.45 0.00 0.00 54.58 51.83 1poz n ASN 164 Cb 0.15 -0.66 0.20 0.00 1.23 0.00 0.00 39.78 40.70 1poz n ASN 164 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1poz h PRO 165 N 4.07 0.00 0.00 1.20 0.13 -1.96 -3.17 132.00 132.28 1poz h PRO 165 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1poz h PRO 165 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1poz h PRO 165 CO 0.80 0.17 0.00 1.49 -0.23 0.00 0.00 178.00 180.24 1poz h GLU 166 N 0.00 0.00 0.00 0.86 4.81 -1.89 -1.23 114.58 117.13 1poz h GLU 166 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1poz h GLU 166 Cb 1.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1poz h GLU 166 CO 0.02 0.00 0.00 -3.47 -0.73 0.00 0.00 179.01 174.83 1poz n ASP 167 N -2.85 0.32 -0.00 1.04 2.03 -1.20 -3.69 116.55 112.20 1poz n ASP 167 Ca -0.00 0.54 -0.01 0.00 0.52 0.00 0.00 54.79 55.83 1poz n ASP 167 Cb 0.19 -0.62 -0.00 0.00 -0.72 0.00 0.00 41.12 39.97 1poz n ASP 167 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1poz n ILE 168 N -1.81 0.49 -3.87 5.18 5.41 -0.54 -4.93 119.36 119.29 1poz n ILE 168 Ca 0.05 0.24 -0.31 0.00 1.00 0.00 0.00 62.75 63.74 1poz n ILE 168 Cb 0.33 -1.47 -0.12 0.00 -0.71 0.00 0.00 39.64 37.67 1poz n ILE 168 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1poz s TYR 169 N -1.51 3.46 0.24 1.39 -0.85 -0.75 -5.09 117.35 114.25 1poz s TYR 169 Ca -0.05 -3.19 -0.30 0.00 -0.52 0.00 0.00 57.07 53.02 1poz s TYR 169 Cb 0.01 -2.86 -0.09 0.00 0.38 0.00 0.00 41.96 39.40 1poz s TYR 169 CO 0.07 -0.66 1.17 -1.25 -1.52 0.00 0.00 175.55 173.35 1poz s PRO 170 N -0.91 4.54 -0.05 -3.49 0.04 -1.24 -4.63 135.00 129.26 1poz s PRO 170 Ca 0.22 1.89 0.21 0.00 0.04 0.00 0.00 61.00 63.36 1poz s PRO 170 Cb -0.14 -3.20 -0.32 0.00 0.04 0.00 0.00 34.50 30.89 1poz s PRO 170 CO -0.09 0.03 0.43 -1.13 0.04 0.00 0.00 177.00 176.28 1poz n SER 171 N 1.72 0.02 -4.30 6.66 3.41 -1.26 -4.81 113.62 115.06 1poz n SER 171 Ca 0.01 0.01 -0.42 0.00 -0.26 0.00 0.00 58.87 58.22 1poz n SER 171 Cb 0.44 1.79 -0.09 0.00 -0.26 0.00 0.00 64.21 66.10 1poz n SER 171 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1poz s ASN 172 N -4.70 5.82 0.26 4.04 3.84 -1.26 -5.07 114.94 117.86 1poz s ASN 172 Ca -0.08 -1.53 -0.30 0.00 0.21 0.00 0.00 52.86 51.16 1poz s ASN 172 Cb 0.13 -2.06 -0.10 0.00 -0.55 0.00 0.00 41.25 38.67 1poz s ASN 172 CO 0.89 -0.61 1.39 -2.16 -2.79 0.00 0.00 177.10 173.82 1poz s PRO 173 N 1.49 4.31 1.22 0.43 0.04 -1.26 -5.01 135.00 136.22 1poz s PRO 173 Ca 0.04 2.24 -0.16 0.00 0.04 0.00 0.00 61.00 63.16 1poz s PRO 173 Cb -0.24 -3.12 0.30 0.00 0.04 0.00 0.00 34.50 31.48 1poz s PRO 173 CO 0.03 -0.34 1.01 -0.08 0.04 0.00 0.00 177.00 177.66 1poz s THR 174 N -0.21 1.76 0.42 1.26 -1.32 -1.26 -4.91 115.64 111.38 1poz s THR 174 Ca 0.57 0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.81 1poz s THR 174 Cb -0.40 -2.16 -0.10 0.00 -1.51 0.00 0.00 72.50 68.32 1poz s THR 174 CO 0.44 0.00 1.00 -0.67 -2.21 0.00 0.00 174.62 173.19 1poz n ASP 175 N -5.03 1.22 -4.67 8.08 -0.08 -1.26 -4.86 116.55 109.95 1poz n ASP 175 Ca 0.06 1.03 -0.44 0.00 -1.51 0.00 0.00 54.79 53.93 1poz n ASP 175 Cb 0.57 -1.35 -0.01 0.00 2.34 0.00 0.00 41.12 42.66 1poz n ASP 175 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1poz n ASP 176 N 0.50 2.48 -0.62 1.67 8.00 -1.26 -4.68 116.55 122.63 1poz n ASP 176 Ca 0.09 1.18 0.00 0.00 0.71 0.00 0.00 54.79 56.78 1poz n ASP 176 Cb 0.39 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.06 1poz n ASP 176 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1poz n ASP 177 N 1.29 -4.66 -0.92 -2.24 -0.08 -1.26 -5.32 116.55 103.36 1poz n ASP 177 Ca 0.08 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.48 1poz n ASP 177 Cb 0.34 0.00 0.13 0.00 2.34 0.00 0.00 41.12 43.93 1poz n ASP 177 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65